Methods, Problems and Solutions
Available Software for Peak Find/Profiling Software for Powder Diffraction Data
The CCP14 Homepage is at http://www.ccp14.ac.uk
Known Freely Available Software:
- CMPR Tcl/Tk - Windows, UNIX
- DRXWin Windows (demonstration version)
- EFLECH for Windows, OS/2, DOS, UNIX
Fityk - Marcin Wojdyr and Stanislaw Gierlotka
- pearson.xls - MS-Excel Spreadsheet
- Vinnie Gupta (firstname.lastname@example.org)
- "peak-decomposition procedure using a Pearson VII function implemented
in Microsoft Excel."
- As described in "J.Appl.Cryst. (1998), 31, 474-476"
- Home site at
- Rawplot - UNIX and Windows
- SHADOW for DOS and UNIX
- Scott Howard
- Peak find, Profiling/Analysis Software
- Non-graphical command line/ASCII menu driven.
- Deposited at Shadow webpage
- PowderX for Windows
- Cheng Dong (email@example.com)
- Manual and Automatic Peak find (alpha 2 stripping)
- Results can be passed to Wintreor which exists as part of PowderX
- [Tutorial and download information]
- Renex Windows (demonstration version)
- XFIT for Windows
- Alan Coelho and Bob Cheary
- Profiling Software
- Can model multi-wavelength (alpha1,2) patterns
- Can fit PseudoVoight, Split Pearson 7 and Fundamental Paremeters peaks.
- CCP14 version can open around 150 files. No hard limit on number of peaks that can be fitted.
- Can save everything as a project (PRJ) file.
- Peak result file can be directly imported into CRYS2RUN indexing suite and CELREF Unitcell refinement software.
- Very good at mass analysis of large amounts of data. (PSD, Energy Dispersive)
- Deposited at the CCP14 website
[CCP14 UK Web Mirror] |
[Canadian CCP14 Mirror] |
[US CCP14 Mirror] |
[Australian CCP14 Mirror]
- CCP14 Based XFIT Tutorial Pages